AMBER Archive (2002)

Subject: Tutorial Error Message

From: Joel Konkle-Parker (joelkp_at_ERC.MsState.Edu)
Date: Wed Aug 28 2002 - 18:19:48 CDT

When doing the following command from the DNA tutorial:

-----------------
$ sander -O -i min_ntr.in -o min_ntr.out -c polyAT.inpcrd -p polyAT.prmtop -r
min_ntr.restrt -ref polyAT.inpcrd &
-----------------

I get the following error message:

--------------------
 ****** FORTRAN RUN-TIME SYSTEM ******
 Error 1092: variable not in NAMELIST group
 Location: the READ statement at line 735 of "_mdread_.f"
 Unit: 5
 File: min_ntr.in

[1]+ Abort sander -O -i min_ntr.in -o min_ntr.out -c
polyAT.inpcrd -p polyAT.prmtop -r min_ntr.restrt -ref polyAT.inpcrd
--------------------

This is the input file:

--------------------
Initial minimization w/ position restraints on DNA, 9.0 cut
 &cntrl
  ntx = 1, irest = 0, ntrx = 1, ntxo = 1,
  ntpr = 10, ntwx = 0, ntwv = 0, ntwe = 0,

  ntf = 1, ntb = 1,
  cut = 9.0, nsnb = 10,

  ibelly = 0, ntr = 1,

  imin = 1,
  maxcyc = 1000,
  ncyc = 5000,
  ntmin = 1, dx0 = 0.1, dxm = 0.5, drms = 0.0001,

  ndfmin = 0, ntcm = 0, nscm = 0,
  init = 3, t = 0.0, dt = 0.002,

  temp0 = 300.0, tempi = 300.0,
  ig = 71277, heat = 0.0,
  ntt = 0,
  tautp = 0.2, tauts = 0.2,
  vlimit = 20.0,

  ntc = 1, tol = 0.0005,

 &end
Hold the DNA fixed
500.0
RES 1 20
END
END
--------------------

So what's wrong?

-Joel